Information card for entry 7706545

Structure parameters

• Formula: C46 H66 Ca N2 O4
• Calculated formula: C46 H66 Ca N2 O4
• Title of publication: Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i>₂-symmetric bis-amide ligands.
• Authors of publication: Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 3178 - 3185
• a: 21.5853 ± 0.0005 Å
• b: 19.8516 ± 0.0005 Å
• c: 11.09 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4752.1 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No